2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole hydrate hydrochloride

Systemtic Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole hydrate hydrochloride Openeye Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole hydrate hydrochloride CAS Name: 2-(4-ethoxyphenyl)-6-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-benzimidazole hydrate hydrochloride IUPAC Name: 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole hydrate hydrochloride Traditional Name: 6-(4-methylpiperazino)-2-(2-p-phenetyl-3H-benzimidazol-5-yl)-1H-benzimidazole hydrate hydrochloride Formula: C27H31ClN6O2 MolecularWeight: 507.02704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.O.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.O.Cl

InChI

InChI=1S/C27H28N6O.ClH.H2O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33;;/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31);1H;1H2